Hydromanganese pentacarbonyl
- Formula: C5HMnO5
- Molecular weight: 195.9965
- IUPAC Standard InChI: InChI=1S/5CO.Mn.H/c5*1-2;;
- IUPAC Standard InChIKey: SKOPWNLHPUYPLV-UHFFFAOYSA-N
- CAS Registry Number: 16972-33-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -176.8 ± 2.2 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -217.9 ± 1.2 kcal/mol for the enthalpy of formation of Mn(CO)5(I)(cr) |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -185.8 ± 2.2 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -217.9 ± 1.2 kcal/mol for the enthalpy of formation of Mn(CO)5(I)(cr) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 9.0 ± 0.2 | kcal/mol | RSC | Hieber and Wagner, 1958 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
(solution) =
(solution) + C5MnO5 (solution)
By formula: C5HMnO5 (solution) = H (solution) + C5MnO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 68.0 ± 1.0 | kcal/mol | EChem | Parker, Handoo, et al., 1991 | solvent: Acetonitrile; Please also see Tilset and Parker, 1989. The reaction enthalpy was obtained from the pKa of the hydride complex (MH), 14.1, and from the oxidation potential of the anion (M-), Mn(CO)5(-), by using the equation: ΔHrxn [kJ/mol] = 5.71pKa(MH) + 96.485(Eo)ox(M-) + C. C is a constant that was calculated as 59.49 kcal/mol Parker, Handoo, et al., 1991, by adjusting the previous equation to the calorimetrically derived values for the reactions Cr(Cp)(CO)3(H)(solution) = Cr(Cp)(CO)3(solution) + H(solution), 61.5 ± 1.0 kcal/mol, and Cr(Cp)(CO)2(PPh3)(H)(solution) = Cr(Cp)(CO)2(PPh3)(solution) + H(solution), 59.8 ± 1.0 kcal/mol Kiss, Zhang, et al., 1990. C depends on the solvent and on the reference electrode. The value given implies that the electrode potentials are referenced to ferrocene/ferricinium electrode; MS |
| ΔrH° | 64.46 | kcal/mol | KinS | Billmers, Griffith, et al., 1986 | solvent: Benzene; Please also see Sweany, Butler S.C., et al., 1981. The reaction enthalpy was derived according to the following procedure: the activation energy for the reaction 9,10-Me2C14H8(solution) + 2Mn(CO)5(H)(solution) = 9,10-Me2C14H10(solution) + Mn2(CO)10(solution), 21.7 kcal/mol, was reported in Sweany, Butler S.C., et al., 1981. The rate-limiting step of this reaction is the abstraction of hydrogen from Mn(CO)5(H), producing Mn(CO)5 and 9,10-Me2C14H9 radicals. Therefore, the activation energy is approximately equal to the difference between the enthalpies of the reactions Mn(CO)5(H)(solution) = Mn(CO)5(solution) + H(solution) and 9,10-Me2C14H9(solution) = 9,10-Me2C14H8(solution). The latter was taken as 42.76 kcal/mol Billmers, Griffith, et al., 1986; MS |
(g) =
(g) + C5MnO5 (g)
By formula: C5HMnO5 (g) = H (g) + C5MnO5 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 58.6 ± 4.1 | kcal/mol | PIMS | Martinho Simões and Beauchamp, 1990 | The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 237.5 ± 2.3 kcal/mol, using Mn(CO)5(H) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 179. ± 3.3 kcal/mol Martinho Simões and Beauchamp, 1990; MS |
(solution) +
(solution) = 2
(solution)
By formula: C10Mn2O10 (solution) + H2 (solution) = 2C5HMnO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.70 ± 0.31 | kcal/mol | EqS | Klingler R.J. and Rathke, 1992 | solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS |
(l) +
(cr) =
(g) +
(cr)
By formula: C5HMnO5 (l) + I2 (cr) = HI (g) + C5IMnO5 (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -26. ± 2. | kcal/mol | RSC | Connor, Zafarani-Moattar, et al., 1982 | The reaction enthalpy relies on -6. ± 1. kcal/mol for the enthalpy of solution of HI(g) in benzene Connor, Zafarani-Moattar, et al., 1982.; MS |
C5MnO5- + =
By formula: C5MnO5- + H+ = C5HMnO5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 311.0 ± 4.0 | kcal/mol | IMRB | Miller, Kawamura, et al., 1990 | gas phase; Between CCl3CO2H and HI; B |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Hieber and Wagner, 1958
Hieber, W.; Wagner, G.,
Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys., Biol., 1958, 13, 339. [all data]
Parker, Handoo, et al., 1991
Parker, V.D.; Handoo, K.L.; Roness, F.; Tilset, M.,
J. Am. Chem. Soc., 1991, 113, 7493. [all data]
Tilset and Parker, 1989
Tilset, M.; Parker, V.D.,
J. Am. Chem. Soc., 1989, 111, 6711; ibid. 1990. [all data]
Kiss, Zhang, et al., 1990
Kiss, G.; Zhang, K.; Mukerjee, S.L.; Hoff, C.; Roper, G.C.,
J. Am. Chem. Soc., 1990, 112, 5657. [all data]
Billmers, Griffith, et al., 1986
Billmers, R.; Griffith, L.L.; Stein, S.E.,
J. Phys. Chem., 1986, 90, 517. [all data]
Sweany, Butler S.C., et al., 1981
Sweany, R.; Butler S.C.; Halpern, J.,
J. Organometal. Chem., 1981, 213, 487. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L.,
Chem. Rev., 1990, 90, 629. [all data]
Klingler R.J. and Rathke, 1992
Klingler R.J.; Rathke, J.W.,
Inorg. Chem., 1992, 31, 804. [all data]
Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A.,
Organomet., 1982, 1, 1166. [all data]
Miller, Kawamura, et al., 1990
Miller, A.E.S.; Kawamura, A.R.; Miller, T.M.,
Effects of Metal and Ligand Substitutions on Gas-Phase Acidities of Transition-Metal Hydrides,
J. Am. Chem. Soc., 1990, 112, 1, 457, https://doi.org/10.1021/ja00157a075
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.